dimethyl 2-[(2E)-2-(3-hexoxycarbonyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(2E)-2-(3-hexoxycarbonyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(2E)-2-(3-hexoxycarbonyl-5-oxo-1-phenyl-pyrazol-4-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(2E)-2-[3-[hexoxy(oxo)methyl]-5-oxo-1-phenyl-4-pyrazolylidene]ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2E)-2-(3-hexoxycarbonyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(2E)-2-(3-hexoxycarbonyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C25H26N2O7S2 MolecularWeight: 530.61314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=NN(C(=O)C1=CC=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC(=O)C\1=NN(C(=O)/C1=C/C=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O7S2/c1-4-5-6-10-15-34-23(29)19-17(22(28)27(26-19)16-11-8-7-9-12-16)13-14-18-35-20(24(30)32-2)21(36-18)25(31)33-3/h7-9,11-14H,4-6,10,15H2,1-3H3/b17-13+